(2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;methane;trimethyl(1-phenylethenoxy)silane

C24H36F2O2Si2 — CID 159886663

IUPAC(2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;methane;trimethyl(1-phenylethenoxy)silane
SMILESC.C=C(O[Si](C)(C)C)c1ccccc1.C[Si](C)(C)OC1(c2ccccc2)CC1(F)F
InChIInChI=1S/C12H16F2OSi.C11H16OSi.CH4/c1-16(2,3)15-11(9-12(11,13)14)10-7-5-4-6-8-10;1-10(12-13(2,3)4)11-8-6-5-7-9-11;/h4-8H,9H2,1-3H3;5-9H,1H2,2-4H3;1H4
InChIKeyNUFKNNBLAKCTGZ-UHFFFAOYSA-N
MW450.72 g/mol
LogP7.92
Rot. Bonds6

About (2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;methane;trimethyl(1-phenylethenoxy)silane

(2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;methane;trimethyl(1-phenylethenoxy)silane (PubChem CID 159886663) has the molecular formula C24H36F2O2Si2 and a molecular weight of 450.72 g/mol. Its IUPAC name is (2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;methane;trimethyl(1-phenylethenoxy)silane.

Molecular Properties

Compound Name(2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;methane;trimethyl(1-phenylethenoxy)silane
PubChem CID159886663
Molecular FormulaC24H36F2O2Si2
Molecular Weight450.72 g/mol
Exact Mass450.22
IUPAC Name(2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;methane;trimethyl(1-phenylethenoxy)silane
SMILESC.C=C(O[Si](C)(C)C)c1ccccc1.C[Si](C)(C)OC1(c2ccccc2)CC1(F)F
InChIInChI=1S/C12H16F2OSi.C11H16OSi.CH4/c1-16(2,3)15-11(9-12(11,13)14)10-7-5-4-6-8-10;1-10(12-13(2,3)4)11-8-6-5-7-9-11;/h4-8H,9H2,1-3H3;5-9H,1H2,2-4H3;1H4
InChIKeyNUFKNNBLAKCTGZ-UHFFFAOYSA-N
XLogP7.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.72
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;methane;trimethyl(1-phenylethenoxy)silane?
The IUPAC name of (2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;methane;trimethyl(1-phenylethenoxy)silane (CID 159886663) is (2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;methane;trimethyl(1-phenylethenoxy)silane.
What is the SMILES notation for (2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;methane;trimethyl(1-phenylethenoxy)silane?
The canonical SMILES for (2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;methane;trimethyl(1-phenylethenoxy)silane is C.C=C(O[Si](C)(C)C)c1ccccc1.C[Si](C)(C)OC1(c2ccccc2)CC1(F)F.
What is the InChIKey of (2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;methane;trimethyl(1-phenylethenoxy)silane?
The InChIKey is NUFKNNBLAKCTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2OSi.C11H16OSi.CH4/c1-16(2,3)15-11(9-12(11,13)14)10-7-5-4-6-8-10;1-10(12-13(2,3)4)11-8-6-5-7-9-11;/h4-8H,9H2,1-3H3;5-9H,1H2,2-4H3;1H4.
What are the key properties of (2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;methane;trimethyl(1-phenylethenoxy)silane?
(2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;methane;trimethyl(1-phenylethenoxy)silane has a molecular weight of 450.72 g/mol, XLogP of 7.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;methane;trimethyl(1-phenylethenoxy)silane is sourced from PubChem (CID 159886663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).